UCSF

ZINC32088086

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 26 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.83 2 -133.06 0 10 -2 152 399.406 7
Lo Low (pH 4.5-6) 1.83 2.03 -21.02 2 10 0 147 401.422 7
Lo Low (pH 4.5-6) 1.83 1.53 -50.13 1 10 -1 149 400.414 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )